CID 3053223

Brn 2971864

Structural Information

Molecular Formula
C14H16O2
SMILES
C1CC(=CC(=O)C1)C2=CC=C(C=C2)CCO
InChI
InChI=1S/C14H16O2/c15-9-8-11-4-6-12(7-5-11)13-2-1-3-14(16)10-13/h4-7,10,15H,1-3,8-9H2
InChIKey
QELRNTTXSCYKQU-UHFFFAOYSA-N
Compound name
3-[4-(2-hydroxyethyl)phenyl]cyclohex-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.11504 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.122316 148.0
[M+Na]+ 239.104258 154.2
[M-H]- 215.107764 153.0
[M+NH4]+ 234.148863 165.7
[M+K]+ 255.078198 150.4
[M+H-H2O]+ 199.112300 141.2
[M+HCOO]- 261.113241 168.7
[M+CH3COO]- 275.128891 185.6
[M+Na-2H]- 237.089706 152.2
[M]+ 216.11449142 145.3
[M]- 216.11558858 145.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.